SCHEMBL13175686

SCHEMBL13175686

COc1ccc(-c2cc(C(=O)N3CCC(CC(C)(C)O)CC3)[nH]n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.58
HTT P42858 1/20 0.53
ALPL P05186 2/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
USP30 Q70CQ3 2/20 0.51
TACR3 P29371 5/20 0.50
THRB P10828 1/20 0.49
ACR P10323 1/20 0.48
TACR2 P21452 1/20 0.48
TACR1 P25103 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13175726 0.90 ALPL (0.55) AKR1C3L3MBTL1ALPLMAPTLMNA
SCHEMBL13175732 0.89 TACR3 (0.59) AKR1C3L3MBTL1HTTMAPTLMNA
SCHEMBL13175948 0.89 MEN1 (0.59) AKR1C3L3MBTL1MAPTSMN1; SMN2TACR3
SCHEMBL13175632 0.89 AKR1C3 (0.59) AKR1C3L3MBTL1ALPLMAPTLMNA
SCHEMBL13175636 0.88 KDM5B (0.61) AKR1C3MAPTTACR3THRBTACR2
SCHEMBL13175455 0.88 AKR1C3 (0.57) AKR1C3LMNAUSP30TACR3TACR2
SCHEMBL13175454 0.88 KDM5B (0.56) AKR1C3ALPLMAPTLMNATACR3
SCHEMBL13175695 0.88 LMNA (0.59) AKR1C3MAPTLMNATACR3THRB
SCHEMBL13175620 0.88 TACR3 (0.58) AKR1C3ALPLMAPTTACR3TACR2
SCHEMBL13175618 0.88 AKR1C3 (0.59) AKR1C3USP30TACR3TACR2TACR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010101128-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed